Hi, You can scale the system with editconf to some density and energy minimize, and equilibrate 1000 steps or so in NVT. Do this with small scaling factors, repeating until tje density is correct. You might want to run at a relatively high temperature.
Cheers, Tsjerk On Tue, Jul 17, 2012 at 2:40 PM, Wu Chaofu <[email protected]> wrote: > Dear gmxers, > > I am trying to generate one polymer melt from one big enough box using > NPT MD in gmx. I find that the density of system varies very slow. > Could you please give me some hints about how to speed up this > process? Thanks a lot for any reply. > > Yours sincerely, > > Chaofu Wu. > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
